(3R)-N-cyclopropyl-1,1-dioxo-3-phenyl-1,4-thiazinane-4-carboxamide

C14H18N2O3S — CID 95772292

IUPAC(3R)-N-cyclopropyl-1,1-dioxo-3-phenyl-1,4-thiazinane-4-carboxamide
SMILESO=C(NC1CC1)N1CCS(=O)(=O)C[C@H]1c1ccccc1
InChIInChI=1S/C14H18N2O3S/c17-14(15-12-6-7-12)16-8-9-20(18,19)10-13(16)11-4-2-1-3-5-11/h1-5,12-13H,6-10H2,(H,15,17)/t13-/m0/s1
InChIKeyCRPFKOFYHLYXCE-ZDUSSCGKSA-N
MW294.38 g/mol
LogP1.33
Rot. Bonds2

About (3R)-N-cyclopropyl-1,1-dioxo-3-phenyl-1,4-thiazinane-4-carboxamide

(3R)-N-cyclopropyl-1,1-dioxo-3-phenyl-1,4-thiazinane-4-carboxamide (PubChem CID 95772292) has the molecular formula C14H18N2O3S and a molecular weight of 294.38 g/mol. Its IUPAC name is (3R)-N-cyclopropyl-1,1-dioxo-3-phenyl-1,4-thiazinane-4-carboxamide.

Molecular Properties

Compound Name(3R)-N-cyclopropyl-1,1-dioxo-3-phenyl-1,4-thiazinane-4-carboxamide
PubChem CID95772292
Molecular FormulaC14H18N2O3S
Molecular Weight294.38 g/mol
Exact Mass294.10
IUPAC Name(3R)-N-cyclopropyl-1,1-dioxo-3-phenyl-1,4-thiazinane-4-carboxamide
SMILESO=C(NC1CC1)N1CCS(=O)(=O)C[C@H]1c1ccccc1
InChIInChI=1S/C14H18N2O3S/c17-14(15-12-6-7-12)16-8-9-20(18,19)10-13(16)11-4-2-1-3-5-11/h1-5,12-13H,6-10H2,(H,15,17)/t13-/m0/s1
InChIKeyCRPFKOFYHLYXCE-ZDUSSCGKSA-N
XLogP1.33
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-N-cyclopropyl-1,1-dioxo-3-phenyl-1,4-thiazinane-4-carboxamide?
The IUPAC name of (3R)-N-cyclopropyl-1,1-dioxo-3-phenyl-1,4-thiazinane-4-carboxamide (CID 95772292) is (3R)-N-cyclopropyl-1,1-dioxo-3-phenyl-1,4-thiazinane-4-carboxamide.
What is the SMILES notation for (3R)-N-cyclopropyl-1,1-dioxo-3-phenyl-1,4-thiazinane-4-carboxamide?
The canonical SMILES for (3R)-N-cyclopropyl-1,1-dioxo-3-phenyl-1,4-thiazinane-4-carboxamide is O=C(NC1CC1)N1CCS(=O)(=O)C[C@H]1c1ccccc1.
What is the InChIKey of (3R)-N-cyclopropyl-1,1-dioxo-3-phenyl-1,4-thiazinane-4-carboxamide?
The InChIKey is CRPFKOFYHLYXCE-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H18N2O3S/c17-14(15-12-6-7-12)16-8-9-20(18,19)10-13(16)11-4-2-1-3-5-11/h1-5,12-13H,6-10H2,(H,15,17)/t13-/m0/s1.
What are the key properties of (3R)-N-cyclopropyl-1,1-dioxo-3-phenyl-1,4-thiazinane-4-carboxamide?
(3R)-N-cyclopropyl-1,1-dioxo-3-phenyl-1,4-thiazinane-4-carboxamide has a molecular weight of 294.38 g/mol, XLogP of 1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-cyclopropyl-1,1-dioxo-3-phenyl-1,4-thiazinane-4-carboxamide is sourced from PubChem (CID 95772292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).